General Information of the Compound
| Compound ID |
CP0548539
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| Compound Name |
CHEMBL4239904
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| Formula |
C25H24F3N3O3S
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| Molecular Weight |
503.546
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| Canonical SMILES |
NC(=O)c1cccc(c1)-c1ccc(cc1)S(=O)(=O)[C@H]1CC[C@@H](CC1)Nc1ccc(cn1)C(F)(F)F
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| InChI |
InChI=1S/C25H24F3N3O3S/c26-25(27,28)19-6-13-23(30-15-19)31-20-7-11-22(12-8-20)35(33,34)21-9-4-16(5-10-21)17-2-1-3-18(14-17)24(29)32/h1-6,9-10,13-15,20,22H,7-8,11-12H2,(H2,29,32)(H,30,31)/t20-,22-
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| InChIKey |
OWLUUJDNWDXCHM-AQYVVDRMSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound